[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(3R)-1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[(3R)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-[(3R)-1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C22H28N3O5S2+ MolecularWeight: 478.60482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N3O5S2/c26-22(18-3-1-7-25(15-18)32(27,28)21-4-2-12-31-21)24-10-8-23(9-11-24)14-17-5-6-19-20(13-17)30-16-29-19/h2,4-6,12-13,18H,1,3,7-11,14-16H2/p+1/t18-/m1/s1